USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 346 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 421 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 383 LYS NZ :NH3+ 166:sc= -0.095 (180deg=-0.418) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.0416 F(o=-0.96!,f=-0.042) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot 5:sc= 0.946 USER MOD Single : A 397 LYS NZ :NH3+ -157:sc= 1.21 (180deg=0.998) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HE2:sc= -0.367 K(o=-0.37,f=-2.7!) USER MOD Single : A 408 LYS NZ :NH3+ -166:sc= -0.0377 (180deg=-0.273) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 415 LYS NZ :NH3+ 177:sc= 0.0585 (180deg=0.0565) USER MOD Single : A 416 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.3) USER MOD Single : A 418 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.32) USER MOD Single : A 420 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.7!) USER MOD Single : A 423 LYS NZ :NH3+ -166:sc= -0.0153 (180deg=-0.204) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ -163:sc= -0.0508 (180deg=-0.33) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -6.837 16.294 1.537 1.00 0.00 N ATOM 2 CA GLY A 382 -8.054 15.451 1.526 1.00 0.00 C ATOM 3 C GLY A 382 -7.829 14.143 2.244 1.00 0.00 C ATOM 4 O GLY A 382 -7.296 14.123 3.352 1.00 0.00 O ATOM 0 HA2 GLY A 382 -8.875 15.990 1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -8.352 15.255 0.496 1.00 0.00 H new ATOM 10 N LYS A 383 -8.174 13.045 1.592 1.00 0.00 N ATOM 11 CA LYS A 383 -7.949 11.725 2.153 1.00 0.00 C ATOM 12 C LYS A 383 -7.597 10.743 1.039 1.00 0.00 C ATOM 13 O LYS A 383 -8.282 9.742 0.833 1.00 0.00 O ATOM 14 CB LYS A 383 -9.184 11.248 2.932 1.00 0.00 C ATOM 15 CG LYS A 383 -8.973 9.928 3.665 1.00 0.00 C ATOM 16 CD LYS A 383 -10.225 9.480 4.406 1.00 0.00 C ATOM 17 CE LYS A 383 -10.192 9.884 5.874 1.00 0.00 C ATOM 18 NZ LYS A 383 -10.251 11.359 6.066 1.00 0.00 N ATOM 0 H LYS A 383 -8.612 13.043 0.671 1.00 0.00 H new ATOM 0 HA LYS A 383 -7.114 11.776 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.465 12.014 3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.020 11.140 2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -8.680 9.159 2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -8.151 10.034 4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.104 9.915 3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -10.324 8.397 4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.031 9.420 6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -9.281 9.498 6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -10.463 11.571 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.335 11.779 5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.996 11.758 5.460 1.00 0.00 H new ATOM 32 N SER A 384 -6.560 11.074 0.283 1.00 0.00 N ATOM 33 CA SER A 384 -6.128 10.231 -0.819 1.00 0.00 C ATOM 34 C SER A 384 -5.633 8.886 -0.299 1.00 0.00 C ATOM 35 O SER A 384 -4.764 8.828 0.576 1.00 0.00 O ATOM 36 CB SER A 384 -5.021 10.926 -1.612 1.00 0.00 C ATOM 37 OG SER A 384 -5.445 12.198 -2.069 1.00 0.00 O ATOM 0 H SER A 384 -6.004 11.919 0.413 1.00 0.00 H new ATOM 0 HA SER A 384 -6.980 10.058 -1.477 1.00 0.00 H new ATOM 0 HB2 SER A 384 -4.136 11.037 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 384 -4.735 10.307 -2.462 1.00 0.00 H new ATOM 0 HG SER A 384 -4.719 12.624 -2.572 1.00 0.00 H new ATOM 43 N PRO A 385 -6.217 7.788 -0.800 1.00 0.00 N ATOM 44 CA PRO A 385 -5.875 6.437 -0.357 1.00 0.00 C ATOM 45 C PRO A 385 -4.410 6.099 -0.612 1.00 0.00 C ATOM 46 O PRO A 385 -3.790 5.392 0.180 1.00 0.00 O ATOM 47 CB PRO A 385 -6.791 5.534 -1.184 1.00 0.00 C ATOM 48 CG PRO A 385 -7.901 6.417 -1.631 1.00 0.00 C ATOM 49 CD PRO A 385 -7.296 7.780 -1.800 1.00 0.00 C ATOM 0 HA PRO A 385 -6.011 6.318 0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.260 5.106 -2.034 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.165 4.700 -0.589 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -8.331 6.061 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.706 6.435 -0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.912 7.929 -2.809 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.023 8.570 -1.615 1.00 0.00 H new ATOM 57 N GLU A 386 -3.843 6.642 -1.692 1.00 0.00 N ATOM 58 CA GLU A 386 -2.432 6.418 -1.993 1.00 0.00 C ATOM 59 C GLU A 386 -1.572 6.936 -0.851 1.00 0.00 C ATOM 60 O GLU A 386 -0.701 6.230 -0.349 1.00 0.00 O ATOM 61 CB GLU A 386 -2.016 7.116 -3.287 1.00 0.00 C ATOM 62 CG GLU A 386 -0.670 6.634 -3.811 1.00 0.00 C ATOM 63 CD GLU A 386 0.004 7.623 -4.740 1.00 0.00 C ATOM 64 OE1 GLU A 386 -0.465 8.776 -4.841 1.00 0.00 O ATOM 65 OE2 GLU A 386 1.032 7.257 -5.349 1.00 0.00 O ATOM 0 H GLU A 386 -4.334 7.232 -2.363 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.287 5.345 -2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.779 6.946 -4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -1.970 8.191 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.011 6.433 -2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.811 5.690 -4.338 1.00 0.00 H new ATOM 72 N ALA A 387 -1.885 8.147 -0.397 1.00 0.00 N ATOM 73 CA ALA A 387 -1.195 8.753 0.733 1.00 0.00 C ATOM 74 C ALA A 387 -1.350 7.892 1.981 1.00 0.00 C ATOM 75 O ALA A 387 -0.413 7.748 2.768 1.00 0.00 O ATOM 76 CB ALA A 387 -1.728 10.155 0.987 1.00 0.00 C ATOM 0 H ALA A 387 -2.619 8.730 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.134 8.821 0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.203 10.596 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.569 10.771 0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.794 10.105 1.207 1.00 0.00 H new ATOM 82 N GLU A 388 -2.535 7.319 2.155 1.00 0.00 N ATOM 83 CA GLU A 388 -2.805 6.454 3.296 1.00 0.00 C ATOM 84 C GLU A 388 -1.931 5.204 3.241 1.00 0.00 C ATOM 85 O GLU A 388 -1.281 4.856 4.229 1.00 0.00 O ATOM 86 CB GLU A 388 -4.282 6.070 3.350 1.00 0.00 C ATOM 87 CG GLU A 388 -5.208 7.256 3.575 1.00 0.00 C ATOM 88 CD GLU A 388 -6.651 6.839 3.761 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.248 6.304 2.806 1.00 0.00 O ATOM 90 OE2 GLU A 388 -7.185 7.021 4.875 1.00 0.00 O ATOM 0 H GLU A 388 -3.324 7.438 1.520 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.563 7.006 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.556 5.577 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.432 5.345 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.877 7.809 4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -5.136 7.935 2.725 1.00 0.00 H new ATOM 97 N CYS A 389 -1.845 4.593 2.060 1.00 0.00 N ATOM 98 CA CYS A 389 -0.978 3.440 1.856 1.00 0.00 C ATOM 99 C CYS A 389 0.485 3.823 2.080 1.00 0.00 C ATOM 100 O CYS A 389 1.222 3.126 2.772 1.00 0.00 O ATOM 101 CB CYS A 389 -1.152 2.888 0.438 1.00 0.00 C ATOM 102 SG CYS A 389 -2.860 2.415 0.001 1.00 0.00 S ATOM 0 H CYS A 389 -2.366 4.880 1.232 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.258 2.672 2.577 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -0.805 3.638 -0.273 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.508 2.016 0.322 1.00 0.00 H new ATOM 107 N ASN A 390 0.891 4.950 1.502 1.00 0.00 N ATOM 108 CA ASN A 390 2.272 5.428 1.605 1.00 0.00 C ATOM 109 C ASN A 390 2.719 5.534 3.060 1.00 0.00 C ATOM 110 O ASN A 390 3.861 5.221 3.389 1.00 0.00 O ATOM 111 CB ASN A 390 2.424 6.793 0.922 1.00 0.00 C ATOM 112 CG ASN A 390 2.427 6.720 -0.599 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.469 5.518 -1.158 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 2.415 7.750 -1.273 1.00 0.00 N flip ATOM 0 H ASN A 390 0.280 5.555 0.953 1.00 0.00 H new ATOM 0 HA ASN A 390 2.906 4.699 1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.610 7.443 1.244 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.353 7.255 1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.382 8.660 -0.813 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.438 7.694 -2.291 1.00 0.00 H new ATOM 121 N LYS A 391 1.816 5.999 3.915 1.00 0.00 N ATOM 122 CA LYS A 391 2.110 6.185 5.335 1.00 0.00 C ATOM 123 C LYS A 391 2.277 4.857 6.075 1.00 0.00 C ATOM 124 O LYS A 391 2.937 4.806 7.109 1.00 0.00 O ATOM 125 CB LYS A 391 1.007 7.015 5.996 1.00 0.00 C ATOM 126 CG LYS A 391 1.061 8.492 5.644 1.00 0.00 C ATOM 127 CD LYS A 391 2.298 9.154 6.226 1.00 0.00 C ATOM 128 CE LYS A 391 2.307 10.651 5.969 1.00 0.00 C ATOM 129 NZ LYS A 391 3.420 11.324 6.688 1.00 0.00 N ATOM 0 H LYS A 391 0.866 6.257 3.649 1.00 0.00 H new ATOM 0 HA LYS A 391 3.060 6.715 5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 391 0.037 6.615 5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.081 6.905 7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 391 1.059 8.610 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.168 8.991 6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 391 2.339 8.969 7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 391 3.190 8.705 5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 391 2.400 10.836 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 391 1.357 11.081 6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 3.395 12.345 6.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 3.317 11.168 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 4.328 10.931 6.368 1.00 0.00 H new ATOM 143 N ILE A 392 1.609 3.813 5.591 1.00 0.00 N ATOM 144 CA ILE A 392 1.616 2.507 6.257 1.00 0.00 C ATOM 145 C ILE A 392 3.041 2.009 6.518 1.00 0.00 C ATOM 146 O ILE A 392 3.421 1.771 7.667 1.00 0.00 O ATOM 147 CB ILE A 392 0.854 1.453 5.419 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.630 1.818 5.301 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.016 0.068 6.016 1.00 0.00 C ATOM 150 CD1 ILE A 392 -1.335 1.963 6.634 1.00 0.00 C ATOM 0 H ILE A 392 1.053 3.843 4.737 1.00 0.00 H new ATOM 0 HA ILE A 392 1.114 2.641 7.215 1.00 0.00 H new ATOM 0 HB ILE A 392 1.284 1.446 4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.721 2.754 4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -1.137 1.052 4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.471 -0.656 5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.073 -0.198 6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 392 0.620 0.061 7.032 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -2.380 2.222 6.466 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -1.277 1.022 7.180 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.855 2.750 7.216 1.00 0.00 H new ATOM 162 N THR A 393 3.824 1.903 5.445 1.00 0.00 N ATOM 163 CA THR A 393 5.239 1.514 5.504 1.00 0.00 C ATOM 164 C THR A 393 5.456 0.187 6.240 1.00 0.00 C ATOM 165 O THR A 393 6.493 -0.024 6.874 1.00 0.00 O ATOM 166 CB THR A 393 6.116 2.626 6.137 1.00 0.00 C ATOM 167 OG1 THR A 393 5.789 2.827 7.520 1.00 0.00 O ATOM 168 CG2 THR A 393 5.926 3.935 5.388 1.00 0.00 C ATOM 0 H THR A 393 3.493 2.086 4.498 1.00 0.00 H new ATOM 0 HA THR A 393 5.552 1.372 4.470 1.00 0.00 H new ATOM 0 HB THR A 393 7.155 2.304 6.066 1.00 0.00 H new ATOM 0 HG1 THR A 393 5.133 2.156 7.802 1.00 0.00 H new ATOM 0 HG21 THR A 393 6.547 4.707 5.842 1.00 0.00 H new ATOM 0 HG22 THR A 393 6.215 3.803 4.345 1.00 0.00 H new ATOM 0 HG23 THR A 393 4.879 4.235 5.439 1.00 0.00 H new ATOM 176 N GLU A 394 4.517 -0.736 6.063 1.00 0.00 N ATOM 177 CA GLU A 394 4.626 -2.081 6.631 1.00 0.00 C ATOM 178 C GLU A 394 3.952 -3.093 5.721 1.00 0.00 C ATOM 179 O GLU A 394 2.837 -2.859 5.257 1.00 0.00 O ATOM 180 CB GLU A 394 3.985 -2.156 8.021 1.00 0.00 C ATOM 181 CG GLU A 394 4.813 -1.527 9.130 1.00 0.00 C ATOM 182 CD GLU A 394 4.285 -1.870 10.507 1.00 0.00 C ATOM 183 OE1 GLU A 394 3.142 -1.486 10.828 1.00 0.00 O ATOM 184 OE2 GLU A 394 5.011 -2.538 11.275 1.00 0.00 O ATOM 0 H GLU A 394 3.664 -0.578 5.527 1.00 0.00 H new ATOM 0 HA GLU A 394 5.687 -2.312 6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.013 -1.664 7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 394 3.804 -3.202 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 394 5.846 -1.864 9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 394 4.820 -0.444 9.005 1.00 0.00 H new ATOM 191 N GLU A 395 4.635 -4.202 5.453 1.00 0.00 N ATOM 192 CA GLU A 395 4.124 -5.235 4.577 1.00 0.00 C ATOM 193 C GLU A 395 2.792 -5.806 5.089 1.00 0.00 C ATOM 194 O GLU A 395 1.808 -5.793 4.355 1.00 0.00 O ATOM 195 CB GLU A 395 5.165 -6.345 4.423 1.00 0.00 C ATOM 196 CG GLU A 395 6.549 -5.840 4.051 1.00 0.00 C ATOM 197 CD GLU A 395 7.551 -6.951 3.801 1.00 0.00 C ATOM 198 OE1 GLU A 395 7.164 -8.140 3.855 1.00 0.00 O ATOM 199 OE2 GLU A 395 8.731 -6.640 3.529 1.00 0.00 O ATOM 0 H GLU A 395 5.557 -4.404 5.840 1.00 0.00 H new ATOM 0 HA GLU A 395 3.930 -4.788 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.231 -6.901 5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 395 4.826 -7.045 3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 395 6.473 -5.222 3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 395 6.921 -5.199 4.851 1.00 0.00 H new ATOM 206 N PRO A 396 2.717 -6.292 6.355 1.00 0.00 N ATOM 207 CA PRO A 396 1.473 -6.855 6.903 1.00 0.00 C ATOM 208 C PRO A 396 0.317 -5.858 6.882 1.00 0.00 C ATOM 209 O PRO A 396 -0.766 -6.167 6.389 1.00 0.00 O ATOM 210 CB PRO A 396 1.836 -7.215 8.348 1.00 0.00 C ATOM 211 CG PRO A 396 3.316 -7.358 8.344 1.00 0.00 C ATOM 212 CD PRO A 396 3.813 -6.351 7.345 1.00 0.00 C ATOM 0 HA PRO A 396 1.128 -7.704 6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.516 -6.438 9.042 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.350 -8.140 8.659 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.732 -7.167 9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.612 -8.369 8.063 1.00 0.00 H new ATOM 0 HD2 PRO A 396 3.992 -5.380 7.806 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.752 -6.665 6.889 1.00 0.00 H new ATOM 220 N LYS A 397 0.565 -4.649 7.380 1.00 0.00 N ATOM 221 CA LYS A 397 -0.461 -3.611 7.409 1.00 0.00 C ATOM 222 C LYS A 397 -0.937 -3.277 5.999 1.00 0.00 C ATOM 223 O LYS A 397 -2.134 -3.148 5.752 1.00 0.00 O ATOM 224 CB LYS A 397 0.074 -2.340 8.068 1.00 0.00 C ATOM 225 CG LYS A 397 0.589 -2.521 9.484 1.00 0.00 C ATOM 226 CD LYS A 397 -0.509 -2.930 10.450 1.00 0.00 C ATOM 227 CE LYS A 397 -0.206 -2.457 11.865 1.00 0.00 C ATOM 228 NZ LYS A 397 1.193 -2.758 12.273 1.00 0.00 N ATOM 0 H LYS A 397 1.465 -4.365 7.768 1.00 0.00 H new ATOM 0 HA LYS A 397 -1.299 -3.995 7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 397 0.880 -1.941 7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.719 -1.592 8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 397 1.374 -3.277 9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.042 -1.590 9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -1.460 -2.512 10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -0.618 -4.015 10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -0.378 -1.383 11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -0.896 -2.934 12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 1.253 -2.790 13.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 1.478 -3.678 11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 1.827 -2.017 11.912 1.00 0.00 H new ATOM 242 N CYS A 398 0.017 -3.126 5.085 1.00 0.00 N ATOM 243 CA CYS A 398 -0.282 -2.785 3.700 1.00 0.00 C ATOM 244 C CYS A 398 -1.059 -3.913 3.033 1.00 0.00 C ATOM 245 O CYS A 398 -1.986 -3.676 2.259 1.00 0.00 O ATOM 246 CB CYS A 398 1.017 -2.527 2.933 1.00 0.00 C ATOM 247 SG CYS A 398 0.821 -1.530 1.422 1.00 0.00 S ATOM 0 H CYS A 398 1.012 -3.236 5.282 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.892 -1.882 3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.721 -2.024 3.596 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.462 -3.485 2.665 1.00 0.00 H new ATOM 252 N SER A 399 -0.661 -5.140 3.344 1.00 0.00 N ATOM 253 CA SER A 399 -1.291 -6.328 2.795 1.00 0.00 C ATOM 254 C SER A 399 -2.735 -6.442 3.281 1.00 0.00 C ATOM 255 O SER A 399 -3.627 -6.837 2.527 1.00 0.00 O ATOM 256 CB SER A 399 -0.486 -7.567 3.202 1.00 0.00 C ATOM 257 OG SER A 399 -0.931 -8.727 2.516 1.00 0.00 O ATOM 0 H SER A 399 0.108 -5.337 3.984 1.00 0.00 H new ATOM 0 HA SER A 399 -1.307 -6.254 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 399 0.570 -7.401 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.575 -7.723 4.277 1.00 0.00 H new ATOM 0 HG SER A 399 -0.396 -9.499 2.797 1.00 0.00 H new ATOM 263 N GLU A 400 -2.954 -6.109 4.550 1.00 0.00 N ATOM 264 CA GLU A 400 -4.283 -6.181 5.146 1.00 0.00 C ATOM 265 C GLU A 400 -5.174 -5.032 4.686 1.00 0.00 C ATOM 266 O GLU A 400 -6.396 -5.177 4.632 1.00 0.00 O ATOM 267 CB GLU A 400 -4.190 -6.209 6.669 1.00 0.00 C ATOM 268 CG GLU A 400 -3.591 -7.496 7.202 1.00 0.00 C ATOM 269 CD GLU A 400 -4.225 -8.723 6.578 1.00 0.00 C ATOM 270 OE1 GLU A 400 -5.460 -8.881 6.688 1.00 0.00 O ATOM 271 OE2 GLU A 400 -3.495 -9.534 5.970 1.00 0.00 O ATOM 0 H GLU A 400 -2.225 -5.786 5.186 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.742 -7.109 4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.586 -5.367 7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -5.186 -6.076 7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -2.519 -7.504 7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -3.718 -7.534 8.284 1.00 0.00 H new ATOM 278 N GLU A 401 -4.564 -3.905 4.327 1.00 0.00 N ATOM 279 CA GLU A 401 -5.310 -2.771 3.793 1.00 0.00 C ATOM 280 C GLU A 401 -6.063 -3.191 2.534 1.00 0.00 C ATOM 281 O GLU A 401 -5.508 -3.872 1.672 1.00 0.00 O ATOM 282 CB GLU A 401 -4.368 -1.610 3.478 1.00 0.00 C ATOM 283 CG GLU A 401 -3.993 -0.769 4.687 1.00 0.00 C ATOM 284 CD GLU A 401 -5.159 0.040 5.218 1.00 0.00 C ATOM 285 OE1 GLU A 401 -6.221 0.066 4.562 1.00 0.00 O ATOM 286 OE2 GLU A 401 -5.021 0.662 6.290 1.00 0.00 O ATOM 0 H GLU A 401 -3.558 -3.754 4.396 1.00 0.00 H new ATOM 0 HA GLU A 401 -6.027 -2.440 4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.458 -2.007 3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.837 -0.967 2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.618 -1.421 5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -3.180 -0.095 4.418 1.00 0.00 H new ATOM 293 N LYS A 402 -7.357 -2.907 2.506 1.00 0.00 N ATOM 294 CA LYS A 402 -8.228 -3.387 1.442 1.00 0.00 C ATOM 295 C LYS A 402 -7.776 -2.901 0.067 1.00 0.00 C ATOM 296 O LYS A 402 -7.887 -3.631 -0.917 1.00 0.00 O ATOM 297 CB LYS A 402 -9.675 -2.965 1.705 1.00 0.00 C ATOM 298 CG LYS A 402 -10.274 -3.582 2.965 1.00 0.00 C ATOM 299 CD LYS A 402 -11.755 -3.253 3.115 1.00 0.00 C ATOM 300 CE LYS A 402 -11.991 -1.773 3.379 1.00 0.00 C ATOM 301 NZ LYS A 402 -13.438 -1.459 3.524 1.00 0.00 N ATOM 0 H LYS A 402 -7.830 -2.343 3.212 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.167 -4.475 1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.718 -1.879 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -10.287 -3.245 0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.144 -4.664 2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -9.732 -3.220 3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -12.285 -3.548 2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -12.174 -3.838 3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -11.463 -1.477 4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -11.573 -1.187 2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -13.556 -0.441 3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -13.939 -1.717 2.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -13.832 -1.998 4.321 1.00 0.00 H new ATOM 315 N ILE A 403 -7.293 -1.669 -0.020 1.00 0.00 N ATOM 316 CA ILE A 403 -6.894 -1.126 -1.307 1.00 0.00 C ATOM 317 C ILE A 403 -5.476 -0.538 -1.252 1.00 0.00 C ATOM 318 O ILE A 403 -5.123 0.376 -2.004 1.00 0.00 O ATOM 319 CB ILE A 403 -7.933 -0.088 -1.803 1.00 0.00 C ATOM 320 CG1 ILE A 403 -7.826 0.110 -3.319 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.788 1.238 -1.069 1.00 0.00 C ATOM 322 CD1 ILE A 403 -8.951 0.936 -3.902 1.00 0.00 C ATOM 0 H ILE A 403 -7.170 -1.038 0.772 1.00 0.00 H new ATOM 0 HA ILE A 403 -6.868 -1.941 -2.030 1.00 0.00 H new ATOM 0 HB ILE A 403 -8.925 -0.481 -1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -6.876 0.592 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -7.813 -0.866 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.531 1.943 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.939 1.081 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.789 1.641 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -8.810 1.035 -4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -9.904 0.444 -3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -8.951 1.925 -3.444 1.00 0.00 H new ATOM 334 N CYS A 404 -4.606 -1.243 -0.546 1.00 0.00 N ATOM 335 CA CYS A 404 -3.176 -0.965 -0.599 1.00 0.00 C ATOM 336 C CYS A 404 -2.445 -2.216 -1.066 1.00 0.00 C ATOM 337 O CYS A 404 -2.983 -3.321 -0.976 1.00 0.00 O ATOM 338 CB CYS A 404 -2.637 -0.521 0.761 1.00 0.00 C ATOM 339 SG CYS A 404 -3.363 1.028 1.393 1.00 0.00 S ATOM 0 H CYS A 404 -4.864 -2.013 0.071 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.008 -0.147 -1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -2.818 -1.315 1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.557 -0.397 0.687 1.00 0.00 H new ATOM 344 N SER A 405 -1.282 -2.038 -1.665 1.00 0.00 N ATOM 345 CA SER A 405 -0.538 -3.157 -2.209 1.00 0.00 C ATOM 346 C SER A 405 0.949 -2.970 -1.951 1.00 0.00 C ATOM 347 O SER A 405 1.466 -1.851 -2.022 1.00 0.00 O ATOM 348 CB SER A 405 -0.821 -3.288 -3.708 1.00 0.00 C ATOM 349 OG SER A 405 -0.186 -4.427 -4.262 1.00 0.00 O ATOM 0 H SER A 405 -0.833 -1.130 -1.787 1.00 0.00 H new ATOM 0 HA SER A 405 -0.856 -4.076 -1.716 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.897 -3.355 -3.871 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.476 -2.392 -4.224 1.00 0.00 H new ATOM 0 HG SER A 405 -0.389 -4.481 -5.219 1.00 0.00 H new ATOM 355 N TRP A 406 1.617 -4.048 -1.567 1.00 0.00 N ATOM 356 CA TRP A 406 3.026 -3.979 -1.250 1.00 0.00 C ATOM 357 C TRP A 406 3.870 -4.108 -2.514 1.00 0.00 C ATOM 358 O TRP A 406 3.532 -4.848 -3.440 1.00 0.00 O ATOM 359 CB TRP A 406 3.426 -5.044 -0.227 1.00 0.00 C ATOM 360 CG TRP A 406 4.767 -4.770 0.382 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.906 -5.493 0.212 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.103 -3.695 1.265 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.935 -4.920 0.903 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.470 -3.820 1.566 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.387 -2.637 1.824 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.131 -2.927 2.403 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.044 -1.756 2.656 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.403 -1.903 2.936 1.00 0.00 C ATOM 0 H TRP A 406 1.203 -4.975 -1.469 1.00 0.00 H new ATOM 0 HA TRP A 406 3.214 -3.003 -0.803 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.674 -5.089 0.561 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.441 -6.021 -0.710 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.985 -6.391 -0.383 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.897 -5.259 0.921 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.336 -2.510 1.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.182 -3.040 2.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.497 -0.937 3.099 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.889 -1.192 3.588 1.00 0.00 H new ATOM 379 N HIS A 407 4.880 -3.268 -2.581 1.00 0.00 N ATOM 380 CA HIS A 407 5.731 -3.119 -3.748 1.00 0.00 C ATOM 381 C HIS A 407 7.136 -3.623 -3.420 1.00 0.00 C ATOM 382 O HIS A 407 7.971 -2.858 -2.936 1.00 0.00 O ATOM 383 CB HIS A 407 5.769 -1.629 -4.103 1.00 0.00 C ATOM 384 CG HIS A 407 6.085 -1.304 -5.520 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.244 -1.687 -6.138 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.399 -0.572 -6.429 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.268 -1.210 -7.360 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.159 -0.531 -7.568 1.00 0.00 N ATOM 0 H HIS A 407 5.141 -2.654 -1.809 1.00 0.00 H new ATOM 0 HA HIS A 407 5.348 -3.697 -4.589 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.801 -1.193 -3.858 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.508 -1.143 -3.466 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.977 -2.256 -5.714 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.435 -0.108 -6.284 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.064 -1.351 -8.076 1.00 0.00 H new ATOM 397 N LYS A 408 7.358 -4.927 -3.565 1.00 0.00 N ATOM 398 CA LYS A 408 8.633 -5.546 -3.177 1.00 0.00 C ATOM 399 C LYS A 408 9.760 -5.236 -4.168 1.00 0.00 C ATOM 400 O LYS A 408 10.534 -6.122 -4.538 1.00 0.00 O ATOM 401 CB LYS A 408 8.473 -7.063 -3.043 1.00 0.00 C ATOM 402 CG LYS A 408 7.603 -7.486 -1.872 1.00 0.00 C ATOM 403 CD LYS A 408 7.544 -9.000 -1.734 1.00 0.00 C ATOM 404 CE LYS A 408 6.818 -9.642 -2.908 1.00 0.00 C ATOM 405 NZ LYS A 408 5.397 -9.214 -2.985 1.00 0.00 N ATOM 0 H LYS A 408 6.674 -5.580 -3.948 1.00 0.00 H new ATOM 0 HA LYS A 408 8.910 -5.117 -2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.043 -7.456 -3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.459 -7.515 -2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.994 -7.052 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.595 -7.093 -2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 408 8.556 -9.400 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 408 7.037 -9.262 -0.805 1.00 0.00 H new ATOM 0 HE2 LYS A 408 7.326 -9.380 -3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 408 6.865 -10.727 -2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 4.881 -9.840 -3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 4.967 -9.267 -2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 5.348 -8.235 -3.333 1.00 0.00 H new ATOM 419 N GLU A 409 9.886 -3.972 -4.540 1.00 0.00 N ATOM 420 CA GLU A 409 10.948 -3.518 -5.423 1.00 0.00 C ATOM 421 C GLU A 409 10.903 -2.002 -5.514 1.00 0.00 C ATOM 422 O GLU A 409 9.851 -1.435 -5.784 1.00 0.00 O ATOM 423 CB GLU A 409 10.781 -4.118 -6.818 1.00 0.00 C ATOM 424 CG GLU A 409 11.964 -3.856 -7.736 1.00 0.00 C ATOM 425 CD GLU A 409 11.739 -4.355 -9.149 1.00 0.00 C ATOM 426 OE1 GLU A 409 11.488 -5.564 -9.331 1.00 0.00 O ATOM 427 OE2 GLU A 409 11.818 -3.540 -10.089 1.00 0.00 O ATOM 0 H GLU A 409 9.254 -3.231 -4.238 1.00 0.00 H new ATOM 0 HA GLU A 409 11.908 -3.841 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 409 10.633 -5.194 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.879 -3.710 -7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 409 12.166 -2.785 -7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 409 12.851 -4.337 -7.323 1.00 0.00 H new ATOM 434 N VAL A 410 12.022 -1.346 -5.262 1.00 0.00 N ATOM 435 CA VAL A 410 12.076 0.112 -5.313 1.00 0.00 C ATOM 436 C VAL A 410 13.440 0.590 -5.798 1.00 0.00 C ATOM 437 O VAL A 410 14.480 0.181 -5.279 1.00 0.00 O ATOM 438 CB VAL A 410 11.768 0.757 -3.940 1.00 0.00 C ATOM 439 CG1 VAL A 410 10.275 0.706 -3.627 1.00 0.00 C ATOM 440 CG2 VAL A 410 12.565 0.081 -2.834 1.00 0.00 C ATOM 0 H VAL A 410 12.906 -1.795 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 410 11.306 0.426 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 410 12.067 1.804 -3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 410 10.091 1.167 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 410 9.723 1.247 -4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.943 -0.332 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 410 12.332 0.551 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 410 12.304 -0.976 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 410 13.631 0.184 -3.039 1.00 0.00 H new ATOM 450 N LYS A 411 13.428 1.468 -6.790 1.00 0.00 N ATOM 451 CA LYS A 411 14.650 2.035 -7.339 1.00 0.00 C ATOM 452 C LYS A 411 14.858 3.435 -6.789 1.00 0.00 C ATOM 453 O LYS A 411 14.989 4.408 -7.540 1.00 0.00 O ATOM 454 CB LYS A 411 14.596 2.066 -8.867 1.00 0.00 C ATOM 455 CG LYS A 411 15.923 2.436 -9.518 1.00 0.00 C ATOM 456 CD LYS A 411 15.749 2.787 -10.986 1.00 0.00 C ATOM 457 CE LYS A 411 17.065 3.206 -11.618 1.00 0.00 C ATOM 458 NZ LYS A 411 16.876 3.746 -12.990 1.00 0.00 N ATOM 0 H LYS A 411 12.575 1.806 -7.235 1.00 0.00 H new ATOM 0 HA LYS A 411 15.490 1.406 -7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 411 14.283 1.087 -9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 411 13.835 2.781 -9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 411 16.364 3.282 -8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 411 16.620 1.603 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 411 15.344 1.928 -11.521 1.00 0.00 H new ATOM 0 HD3 LYS A 411 15.023 3.594 -11.085 1.00 0.00 H new ATOM 0 HE2 LYS A 411 17.543 3.961 -10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 411 17.739 2.350 -11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 17.798 4.020 -13.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 16.443 3.018 -13.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 16.254 4.579 -12.953 1.00 0.00 H new ATOM 472 N ALA A 412 14.897 3.512 -5.472 1.00 0.00 N ATOM 473 CA ALA A 412 15.130 4.761 -4.754 1.00 0.00 C ATOM 474 C ALA A 412 14.247 5.893 -5.274 1.00 0.00 C ATOM 475 O ALA A 412 14.738 6.940 -5.702 1.00 0.00 O ATOM 476 CB ALA A 412 16.597 5.125 -4.835 1.00 0.00 C ATOM 0 H ALA A 412 14.767 2.705 -4.861 1.00 0.00 H new ATOM 0 HA ALA A 412 14.857 4.612 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 412 16.771 6.058 -4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 412 17.194 4.332 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 412 16.884 5.248 -5.879 1.00 0.00 H new ATOM 482 N GLY A 413 12.944 5.676 -5.216 1.00 0.00 N ATOM 483 CA GLY A 413 12.002 6.674 -5.680 1.00 0.00 C ATOM 484 C GLY A 413 10.566 6.225 -5.514 1.00 0.00 C ATOM 485 O GLY A 413 9.704 7.012 -5.123 1.00 0.00 O ATOM 0 H GLY A 413 12.519 4.822 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 413 12.157 7.602 -5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 413 12.194 6.892 -6.731 1.00 0.00 H new ATOM 489 N GLU A 414 10.310 4.962 -5.816 1.00 0.00 N ATOM 490 CA GLU A 414 8.969 4.398 -5.700 1.00 0.00 C ATOM 491 C GLU A 414 8.587 4.215 -4.234 1.00 0.00 C ATOM 492 O GLU A 414 9.402 4.434 -3.335 1.00 0.00 O ATOM 493 CB GLU A 414 8.877 3.051 -6.429 1.00 0.00 C ATOM 494 CG GLU A 414 9.093 3.133 -7.935 1.00 0.00 C ATOM 495 CD GLU A 414 10.515 3.497 -8.307 1.00 0.00 C ATOM 496 OE1 GLU A 414 11.439 2.779 -7.887 1.00 0.00 O ATOM 497 OE2 GLU A 414 10.712 4.510 -9.009 1.00 0.00 O ATOM 0 H GLU A 414 11.015 4.303 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 414 8.273 5.097 -6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.616 2.371 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.896 2.615 -6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 414 8.839 2.174 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 414 8.412 3.873 -8.355 1.00 0.00 H new ATOM 504 N LYS A 415 7.370 3.753 -4.000 1.00 0.00 N ATOM 505 CA LYS A 415 6.910 3.476 -2.649 1.00 0.00 C ATOM 506 C LYS A 415 6.585 2.006 -2.494 1.00 0.00 C ATOM 507 O LYS A 415 5.971 1.408 -3.378 1.00 0.00 O ATOM 508 CB LYS A 415 5.681 4.322 -2.307 1.00 0.00 C ATOM 509 CG LYS A 415 6.018 5.758 -1.950 1.00 0.00 C ATOM 510 CD LYS A 415 6.787 5.832 -0.640 1.00 0.00 C ATOM 511 CE LYS A 415 5.888 5.596 0.565 1.00 0.00 C ATOM 512 NZ LYS A 415 6.605 5.836 1.845 1.00 0.00 N ATOM 0 H LYS A 415 6.682 3.562 -4.728 1.00 0.00 H new ATOM 0 HA LYS A 415 7.712 3.737 -1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 415 4.998 4.317 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 415 5.153 3.862 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.610 6.205 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.100 6.341 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 415 7.586 5.090 -0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.260 6.810 -0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 415 5.021 6.254 0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 415 5.514 4.572 0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 5.946 5.714 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 7.388 5.157 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 6.984 6.804 1.854 1.00 0.00 H new ATOM 526 N ASN A 416 7.035 1.418 -1.395 1.00 0.00 N ATOM 527 CA ASN A 416 6.778 0.011 -1.135 1.00 0.00 C ATOM 528 C ASN A 416 5.300 -0.200 -0.834 1.00 0.00 C ATOM 529 O ASN A 416 4.630 -0.970 -1.501 1.00 0.00 O ATOM 530 CB ASN A 416 7.618 -0.512 0.034 1.00 0.00 C ATOM 531 CG ASN A 416 9.111 -0.479 -0.227 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.715 0.590 -0.319 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.718 -1.649 -0.347 1.00 0.00 N ATOM 0 H ASN A 416 7.577 1.892 -0.673 1.00 0.00 H new ATOM 0 HA ASN A 416 7.058 -0.547 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.400 0.082 0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 416 7.319 -1.537 0.255 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.722 -1.687 -0.522 1.00 0.00 H new ATOM 0 HD22 ASN A 416 9.182 -2.513 -0.264 1.00 0.00 H new ATOM 540 N CYS A 417 4.748 0.585 0.069 1.00 0.00 N ATOM 541 CA CYS A 417 3.310 0.538 0.271 1.00 0.00 C ATOM 542 C CYS A 417 2.663 1.641 -0.537 1.00 0.00 C ATOM 543 O CYS A 417 2.987 2.820 -0.370 1.00 0.00 O ATOM 544 CB CYS A 417 2.929 0.660 1.744 1.00 0.00 C ATOM 545 SG CYS A 417 1.153 0.365 2.064 1.00 0.00 S ATOM 0 H CYS A 417 5.253 1.245 0.660 1.00 0.00 H new ATOM 0 HA CYS A 417 2.949 -0.434 -0.066 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.518 -0.051 2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 417 3.193 1.656 2.098 1.00 0.00 H new ATOM 550 N GLN A 418 1.844 1.250 -1.491 1.00 0.00 N ATOM 551 CA GLN A 418 1.260 2.198 -2.412 1.00 0.00 C ATOM 552 C GLN A 418 -0.144 1.778 -2.805 1.00 0.00 C ATOM 553 O GLN A 418 -0.606 0.694 -2.438 1.00 0.00 O ATOM 554 CB GLN A 418 2.162 2.369 -3.642 1.00 0.00 C ATOM 555 CG GLN A 418 2.736 1.070 -4.192 1.00 0.00 C ATOM 556 CD GLN A 418 1.740 0.271 -5.005 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.170 0.775 -5.971 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.533 -0.978 -4.628 1.00 0.00 N ATOM 0 H GLN A 418 1.568 0.281 -1.648 1.00 0.00 H new ATOM 0 HA GLN A 418 1.182 3.165 -1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.591 2.861 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.986 3.034 -3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.602 1.298 -4.814 1.00 0.00 H new ATOM 0 HG3 GLN A 418 3.091 0.458 -3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 418 2.028 -1.355 -3.820 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.878 -1.565 -5.145 1.00 0.00 H new ATOM 567 N PHE A 419 -0.856 2.700 -3.435 1.00 0.00 N ATOM 568 CA PHE A 419 -2.251 2.497 -3.783 1.00 0.00 C ATOM 569 C PHE A 419 -2.425 1.254 -4.647 1.00 0.00 C ATOM 570 O PHE A 419 -1.761 1.096 -5.671 1.00 0.00 O ATOM 571 CB PHE A 419 -2.780 3.730 -4.517 1.00 0.00 C ATOM 572 CG PHE A 419 -4.271 3.762 -4.664 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.092 3.434 -3.597 1.00 0.00 C ATOM 574 CD2 PHE A 419 -4.855 4.127 -5.867 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.465 3.467 -3.730 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.229 4.163 -6.003 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.034 3.832 -4.933 1.00 0.00 C ATOM 0 H PHE A 419 -0.483 3.606 -3.718 1.00 0.00 H new ATOM 0 HA PHE A 419 -2.820 2.349 -2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.459 4.624 -3.982 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.327 3.772 -5.508 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -4.653 3.150 -2.652 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.228 4.386 -6.708 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.095 3.207 -2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.672 4.450 -6.945 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.109 3.858 -5.037 1.00 0.00 H new ATOM 587 N ASN A 420 -3.301 0.362 -4.210 1.00 0.00 N ATOM 588 CA ASN A 420 -3.570 -0.874 -4.936 1.00 0.00 C ATOM 589 C ASN A 420 -4.313 -0.560 -6.229 1.00 0.00 C ATOM 590 O ASN A 420 -3.990 -1.099 -7.286 1.00 0.00 O ATOM 591 CB ASN A 420 -4.399 -1.820 -4.063 1.00 0.00 C ATOM 592 CG ASN A 420 -4.529 -3.219 -4.631 1.00 0.00 C ATOM 593 OD1 ASN A 420 -4.987 -3.412 -5.755 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.157 -4.213 -3.837 1.00 0.00 N ATOM 0 H ASN A 420 -3.841 0.470 -3.352 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.626 -1.361 -5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.944 -1.880 -3.074 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -5.395 -1.398 -3.930 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -4.247 -5.179 -4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -3.781 -4.012 -2.910 1.00 0.00 H new ATOM 601 N SER A 421 -5.273 0.365 -6.125 1.00 0.00 N ATOM 602 CA SER A 421 -6.073 0.823 -7.260 1.00 0.00 C ATOM 603 C SER A 421 -7.010 -0.279 -7.761 1.00 0.00 C ATOM 604 O SER A 421 -6.566 -1.315 -8.258 1.00 0.00 O ATOM 605 CB SER A 421 -5.166 1.324 -8.395 1.00 0.00 C ATOM 606 OG SER A 421 -5.921 1.857 -9.470 1.00 0.00 O ATOM 0 H SER A 421 -5.516 0.818 -5.244 1.00 0.00 H new ATOM 0 HA SER A 421 -6.690 1.654 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 421 -4.490 2.088 -8.011 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.547 0.503 -8.756 1.00 0.00 H new ATOM 0 HG SER A 421 -5.314 2.168 -10.174 1.00 0.00 H new ATOM 612 N THR A 422 -8.313 -0.012 -7.666 1.00 0.00 N ATOM 613 CA THR A 422 -9.339 -0.935 -8.138 1.00 0.00 C ATOM 614 C THR A 422 -9.225 -2.292 -7.437 1.00 0.00 C ATOM 615 O THR A 422 -8.736 -3.267 -8.013 1.00 0.00 O ATOM 616 CB THR A 422 -9.255 -1.125 -9.669 1.00 0.00 C ATOM 617 OG1 THR A 422 -9.042 0.147 -10.306 1.00 0.00 O ATOM 618 CG2 THR A 422 -10.528 -1.763 -10.211 1.00 0.00 C ATOM 0 H THR A 422 -8.683 0.848 -7.261 1.00 0.00 H new ATOM 0 HA THR A 422 -10.307 -0.497 -7.894 1.00 0.00 H new ATOM 0 HB THR A 422 -8.418 -1.789 -9.886 1.00 0.00 H new ATOM 0 HG1 THR A 422 -8.988 0.022 -11.276 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.442 -1.885 -11.291 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.673 -2.738 -9.746 1.00 0.00 H new ATOM 0 HG23 THR A 422 -11.381 -1.123 -9.985 1.00 0.00 H new ATOM 626 N LYS A 423 -9.646 -2.341 -6.176 1.00 0.00 N ATOM 627 CA LYS A 423 -9.550 -3.570 -5.396 1.00 0.00 C ATOM 628 C LYS A 423 -10.609 -3.619 -4.294 1.00 0.00 C ATOM 629 O LYS A 423 -11.350 -4.595 -4.180 1.00 0.00 O ATOM 630 CB LYS A 423 -8.153 -3.687 -4.779 1.00 0.00 C ATOM 631 CG LYS A 423 -7.941 -4.952 -3.961 1.00 0.00 C ATOM 632 CD LYS A 423 -8.081 -6.204 -4.811 1.00 0.00 C ATOM 633 CE LYS A 423 -7.876 -7.462 -3.982 1.00 0.00 C ATOM 634 NZ LYS A 423 -6.516 -7.520 -3.384 1.00 0.00 N ATOM 0 H LYS A 423 -10.054 -1.551 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 423 -9.726 -4.409 -6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -7.411 -3.654 -5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -7.975 -2.821 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -6.950 -4.930 -3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -8.664 -4.983 -3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -9.069 -6.226 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -7.354 -6.178 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -8.623 -7.499 -3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -8.034 -8.339 -4.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -6.332 -8.481 -3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -5.809 -7.274 -4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -6.454 -6.845 -2.595 1.00 0.00 H new ATOM 648 N ALA A 424 -10.635 -2.596 -3.449 1.00 0.00 N ATOM 649 CA ALA A 424 -11.562 -2.566 -2.326 1.00 0.00 C ATOM 650 C ALA A 424 -12.981 -2.260 -2.792 1.00 0.00 C ATOM 651 O ALA A 424 -13.812 -3.162 -2.916 1.00 0.00 O ATOM 652 CB ALA A 424 -11.109 -1.550 -1.289 1.00 0.00 C ATOM 0 H ALA A 424 -10.027 -1.780 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 424 -11.566 -3.554 -1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -11.813 -1.541 -0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -10.118 -1.820 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -11.070 -0.560 -1.743 1.00 0.00 H new ATOM 658 N SER A 425 -13.250 -0.990 -3.046 1.00 0.00 N ATOM 659 CA SER A 425 -14.575 -0.561 -3.461 1.00 0.00 C ATOM 660 C SER A 425 -14.513 0.820 -4.102 1.00 0.00 C ATOM 661 O SER A 425 -15.477 1.585 -4.059 1.00 0.00 O ATOM 662 CB SER A 425 -15.513 -0.553 -2.252 1.00 0.00 C ATOM 663 OG SER A 425 -14.904 0.086 -1.139 1.00 0.00 O ATOM 0 H SER A 425 -12.566 -0.237 -2.972 1.00 0.00 H new ATOM 0 HA SER A 425 -14.960 -1.260 -4.204 1.00 0.00 H new ATOM 0 HB2 SER A 425 -16.439 -0.039 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 425 -15.780 -1.576 -1.987 1.00 0.00 H new ATOM 0 HG SER A 425 -15.523 0.080 -0.379 1.00 0.00 H new ATOM 669 N LYS A 426 -13.409 1.085 -4.786 1.00 0.00 N ATOM 670 CA LYS A 426 -13.229 2.329 -5.522 1.00 0.00 C ATOM 671 C LYS A 426 -12.585 2.037 -6.867 1.00 0.00 C ATOM 672 O LYS A 426 -11.627 1.269 -6.949 1.00 0.00 O ATOM 673 CB LYS A 426 -12.350 3.320 -4.743 1.00 0.00 C ATOM 674 CG LYS A 426 -13.106 4.238 -3.788 1.00 0.00 C ATOM 675 CD LYS A 426 -13.489 3.538 -2.495 1.00 0.00 C ATOM 676 CE LYS A 426 -14.107 4.509 -1.499 1.00 0.00 C ATOM 677 NZ LYS A 426 -13.141 5.558 -1.076 1.00 0.00 N ATOM 0 H LYS A 426 -12.616 0.447 -4.847 1.00 0.00 H new ATOM 0 HA LYS A 426 -14.211 2.781 -5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -11.611 2.757 -4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -11.802 3.935 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -12.489 5.107 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -14.007 4.607 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -14.195 2.736 -2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -12.606 3.076 -2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -14.982 4.980 -1.946 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -14.453 3.960 -0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -13.483 6.015 -0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -12.213 5.124 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -13.050 6.270 -1.829 1.00 0.00 H new ATOM 691 N SER A 427 -13.103 2.652 -7.912 1.00 0.00 N ATOM 692 CA SER A 427 -12.581 2.452 -9.253 1.00 0.00 C ATOM 693 C SER A 427 -13.096 3.541 -10.182 1.00 0.00 C ATOM 694 O SER A 427 -12.581 3.663 -11.308 1.00 0.00 O ATOM 695 CB SER A 427 -12.977 1.067 -9.771 1.00 0.00 C ATOM 696 OG SER A 427 -14.328 0.768 -9.451 1.00 0.00 O ATOM 697 OXT SER A 427 -14.008 4.291 -9.765 1.00 0.00 O ATOM 0 H SER A 427 -13.890 3.299 -7.859 1.00 0.00 H new ATOM 0 HA SER A 427 -11.493 2.510 -9.223 1.00 0.00 H new ATOM 0 HB2 SER A 427 -12.838 1.026 -10.851 1.00 0.00 H new ATOM 0 HB3 SER A 427 -12.322 0.312 -9.337 1.00 0.00 H new ATOM 0 HG SER A 427 -14.556 -0.121 -9.794 1.00 0.00 H new TER 703 SER A 427